USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 410 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 HIS : no HD1:sc= -0.472 K(o=-1.3,f=-2.2) USER MOD Set 1.2: A 33 TYR OH : rot 180:sc= -0.842 USER MOD Single : A 19 GLN : amide:sc= -0.0396 X(o=-0.04,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc=8.25e-05 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.202 USER MOD Single : A 37 MET CE :methyl -112:sc= -0.844 (180deg=-1.8!) USER MOD Single : A 39 GLN : amide:sc= -1.42 K(o=-1.4,f=-3.9!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 82:sc= 0.989 USER MOD Single : A 49 ASN : amide:sc= -0.619 K(o=-0.62,f=-0.0096) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -166:sc= -0.623 (180deg=-1.02) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 181 N ARG A 15 3.522 3.974 0.060 1.00 0.00 N ATOM 182 CA ARG A 15 3.362 2.542 0.283 1.00 0.00 C ATOM 183 C ARG A 15 3.832 2.155 1.682 1.00 0.00 C ATOM 184 O ARG A 15 4.696 2.813 2.263 1.00 0.00 O ATOM 185 CB ARG A 15 4.144 1.750 -0.766 1.00 0.00 C ATOM 186 CG ARG A 15 3.329 1.407 -2.003 1.00 0.00 C ATOM 187 CD ARG A 15 3.436 2.495 -3.060 1.00 0.00 C ATOM 188 NE ARG A 15 2.392 3.506 -2.912 1.00 0.00 N ATOM 189 CZ ARG A 15 1.159 3.364 -3.386 1.00 0.00 C ATOM 190 NH1 ARG A 15 0.817 2.259 -4.033 1.00 0.00 N ATOM 191 NH2 ARG A 15 0.265 4.329 -3.211 1.00 0.00 N ATOM 0 HA ARG A 15 2.303 2.302 0.194 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.019 2.326 -1.066 1.00 0.00 H new ATOM 0 HB3 ARG A 15 4.509 0.828 -0.315 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.676 0.460 -2.417 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.284 1.270 -1.725 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.414 2.971 -2.992 1.00 0.00 H new ATOM 0 HD3 ARG A 15 3.368 2.046 -4.051 1.00 0.00 H new ATOM 0 HE ARG A 15 2.622 4.368 -2.418 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.501 1.515 -4.168 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -0.130 2.153 -4.396 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.524 5.180 -2.712 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -0.681 4.220 -3.575 1.00 0.00 H new ATOM 205 N LEU A 16 3.257 1.084 2.218 1.00 0.00 N ATOM 206 CA LEU A 16 3.616 0.608 3.550 1.00 0.00 C ATOM 207 C LEU A 16 4.412 -0.691 3.468 1.00 0.00 C ATOM 208 O LEU A 16 4.153 -1.535 2.610 1.00 0.00 O ATOM 209 CB LEU A 16 2.358 0.397 4.394 1.00 0.00 C ATOM 210 CG LEU A 16 2.436 -0.707 5.449 1.00 0.00 C ATOM 211 CD1 LEU A 16 1.555 -0.369 6.641 1.00 0.00 C ATOM 212 CD2 LEU A 16 2.033 -2.047 4.850 1.00 0.00 C ATOM 0 H LEU A 16 2.540 0.529 1.751 1.00 0.00 H new ATOM 0 HA LEU A 16 4.240 1.365 4.024 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.119 1.335 4.895 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.528 0.174 3.724 1.00 0.00 H new ATOM 0 HG LEU A 16 3.467 -0.781 5.794 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.623 -1.166 7.381 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.888 0.569 7.085 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.521 -0.267 6.312 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.095 -2.821 5.615 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.011 -1.986 4.477 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.705 -2.295 4.028 1.00 0.00 H new ATOM 224 N GLU A 17 5.379 -0.844 4.367 1.00 0.00 N ATOM 225 CA GLU A 17 6.211 -2.041 4.396 1.00 0.00 C ATOM 226 C GLU A 17 5.621 -3.091 5.335 1.00 0.00 C ATOM 227 O GLU A 17 5.431 -2.838 6.525 1.00 0.00 O ATOM 228 CB GLU A 17 7.634 -1.690 4.836 1.00 0.00 C ATOM 229 CG GLU A 17 8.655 -2.768 4.513 1.00 0.00 C ATOM 230 CD GLU A 17 9.836 -2.757 5.464 1.00 0.00 C ATOM 231 OE1 GLU A 17 9.630 -3.011 6.669 1.00 0.00 O ATOM 232 OE2 GLU A 17 10.966 -2.494 5.001 1.00 0.00 O ATOM 0 H GLU A 17 5.605 -0.155 5.084 1.00 0.00 H new ATOM 0 HA GLU A 17 6.242 -2.455 3.388 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.935 -0.760 4.354 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.638 -1.508 5.911 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.172 -3.744 4.551 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.013 -2.630 3.493 1.00 0.00 H new ATOM 239 N HIS A 18 5.334 -4.269 4.790 1.00 0.00 N ATOM 240 CA HIS A 18 4.766 -5.357 5.577 1.00 0.00 C ATOM 241 C HIS A 18 5.714 -6.552 5.615 1.00 0.00 C ATOM 242 O HIS A 18 5.981 -7.176 4.588 1.00 0.00 O ATOM 243 CB HIS A 18 3.415 -5.781 5.001 1.00 0.00 C ATOM 244 CG HIS A 18 2.811 -6.962 5.696 1.00 0.00 C ATOM 245 ND1 HIS A 18 1.906 -6.845 6.729 1.00 0.00 N ATOM 246 CD2 HIS A 18 2.986 -8.290 5.498 1.00 0.00 C ATOM 247 CE1 HIS A 18 1.552 -8.050 7.139 1.00 0.00 C ATOM 248 NE2 HIS A 18 2.192 -8.944 6.408 1.00 0.00 N ATOM 0 H HIS A 18 5.486 -4.494 3.807 1.00 0.00 H new ATOM 0 HA HIS A 18 4.621 -4.998 6.596 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.723 -4.941 5.063 1.00 0.00 H new ATOM 0 HB3 HIS A 18 3.538 -6.016 3.944 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.630 -8.749 4.762 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.857 -8.267 7.937 1.00 0.00 H new ATOM 0 HE2 HIS A 18 2.110 -9.956 6.504 1.00 0.00 H new ATOM 257 N GLN A 19 6.218 -6.864 6.804 1.00 0.00 N ATOM 258 CA GLN A 19 7.137 -7.984 6.974 1.00 0.00 C ATOM 259 C GLN A 19 6.477 -9.297 6.565 1.00 0.00 C ATOM 260 O GLN A 19 5.970 -10.038 7.409 1.00 0.00 O ATOM 261 CB GLN A 19 7.609 -8.067 8.426 1.00 0.00 C ATOM 262 CG GLN A 19 8.591 -9.199 8.683 1.00 0.00 C ATOM 263 CD GLN A 19 9.160 -9.172 10.088 1.00 0.00 C ATOM 264 OE1 GLN A 19 9.007 -10.127 10.850 1.00 0.00 O ATOM 265 NE2 GLN A 19 9.820 -8.075 10.438 1.00 0.00 N ATOM 0 H GLN A 19 6.006 -6.358 7.664 1.00 0.00 H new ATOM 0 HA GLN A 19 7.999 -7.816 6.328 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.077 -7.122 8.702 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.742 -8.195 9.074 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.091 -10.153 8.516 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.407 -9.137 7.963 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.922 -7.308 9.774 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.225 -7.999 11.371 1.00 0.00 H new ATOM 274 N LEU A 20 6.486 -9.578 5.267 1.00 0.00 N ATOM 275 CA LEU A 20 5.887 -10.802 4.746 1.00 0.00 C ATOM 276 C LEU A 20 6.313 -12.012 5.572 1.00 0.00 C ATOM 277 O LEU A 20 7.422 -12.522 5.417 1.00 0.00 O ATOM 278 CB LEU A 20 6.285 -11.005 3.283 1.00 0.00 C ATOM 279 CG LEU A 20 5.270 -11.739 2.406 1.00 0.00 C ATOM 280 CD1 LEU A 20 4.155 -10.797 1.978 1.00 0.00 C ATOM 281 CD2 LEU A 20 5.954 -12.345 1.190 1.00 0.00 C ATOM 0 H LEU A 20 6.901 -8.976 4.556 1.00 0.00 H new ATOM 0 HA LEU A 20 4.804 -10.703 4.812 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.477 -10.027 2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.224 -11.557 3.256 1.00 0.00 H new ATOM 0 HG LEU A 20 4.831 -12.547 2.991 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.442 -11.337 1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.646 -10.411 2.861 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.577 -9.967 1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.216 -12.863 0.578 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.421 -11.554 0.603 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.716 -13.053 1.516 1.00 0.00 H new ATOM 293 N GLU A 21 5.423 -12.465 6.450 1.00 0.00 N ATOM 294 CA GLU A 21 5.707 -13.616 7.299 1.00 0.00 C ATOM 295 C GLU A 21 5.329 -14.917 6.598 1.00 0.00 C ATOM 296 O GLU A 21 4.503 -14.942 5.685 1.00 0.00 O ATOM 297 CB GLU A 21 4.950 -13.499 8.624 1.00 0.00 C ATOM 298 CG GLU A 21 5.673 -12.663 9.667 1.00 0.00 C ATOM 299 CD GLU A 21 5.058 -12.791 11.047 1.00 0.00 C ATOM 300 OE1 GLU A 21 4.847 -13.936 11.498 1.00 0.00 O ATOM 301 OE2 GLU A 21 4.788 -11.746 11.675 1.00 0.00 O ATOM 0 H GLU A 21 4.501 -12.053 6.592 1.00 0.00 H new ATOM 0 HA GLU A 21 6.778 -13.631 7.500 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.970 -13.061 8.435 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.781 -14.498 9.025 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.719 -12.967 9.710 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.658 -11.617 9.362 1.00 0.00 H new ATOM 308 N PRO A 22 5.948 -16.025 7.033 1.00 0.00 N ATOM 309 CA PRO A 22 5.692 -17.350 6.461 1.00 0.00 C ATOM 310 C PRO A 22 4.302 -17.873 6.807 1.00 0.00 C ATOM 311 O PRO A 22 4.055 -18.312 7.929 1.00 0.00 O ATOM 312 CB PRO A 22 6.769 -18.227 7.105 1.00 0.00 C ATOM 313 CG PRO A 22 7.103 -17.540 8.384 1.00 0.00 C ATOM 314 CD PRO A 22 6.943 -16.069 8.117 1.00 0.00 C ATOM 0 HA PRO A 22 5.727 -17.338 5.372 1.00 0.00 H new ATOM 0 HB2 PRO A 22 6.402 -19.238 7.283 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.645 -18.314 6.462 1.00 0.00 H new ATOM 0 HG2 PRO A 22 6.441 -17.865 9.186 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.121 -17.771 8.697 1.00 0.00 H new ATOM 0 HD2 PRO A 22 6.597 -15.535 9.002 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.885 -15.610 7.817 1.00 0.00 H new ATOM 322 N GLY A 23 3.397 -17.822 5.834 1.00 0.00 N ATOM 323 CA GLY A 23 2.043 -18.294 6.056 1.00 0.00 C ATOM 324 C GLY A 23 0.999 -17.285 5.620 1.00 0.00 C ATOM 325 O GLY A 23 -0.185 -17.609 5.525 1.00 0.00 O ATOM 0 H GLY A 23 3.577 -17.462 4.897 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.893 -19.226 5.512 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.908 -18.518 7.114 1.00 0.00 H new ATOM 329 N ASP A 24 1.437 -16.059 5.357 1.00 0.00 N ATOM 330 CA ASP A 24 0.531 -14.999 4.929 1.00 0.00 C ATOM 331 C ASP A 24 -0.006 -15.275 3.528 1.00 0.00 C ATOM 332 O ASP A 24 0.654 -15.922 2.714 1.00 0.00 O ATOM 333 CB ASP A 24 1.245 -13.647 4.957 1.00 0.00 C ATOM 334 CG ASP A 24 1.133 -12.961 6.305 1.00 0.00 C ATOM 335 OD1 ASP A 24 -0.007 -12.759 6.775 1.00 0.00 O ATOM 336 OD2 ASP A 24 2.184 -12.626 6.889 1.00 0.00 O ATOM 0 H ASP A 24 2.414 -15.774 5.433 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.310 -14.972 5.622 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.297 -13.790 4.712 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.823 -13.001 4.187 1.00 0.00 H new ATOM 341 N THR A 25 -1.210 -14.781 3.254 1.00 0.00 N ATOM 342 CA THR A 25 -1.837 -14.976 1.953 1.00 0.00 C ATOM 343 C THR A 25 -2.256 -13.645 1.339 1.00 0.00 C ATOM 344 O THR A 25 -2.722 -12.746 2.040 1.00 0.00 O ATOM 345 CB THR A 25 -3.071 -15.892 2.056 1.00 0.00 C ATOM 346 OG1 THR A 25 -4.102 -15.242 2.807 1.00 0.00 O ATOM 347 CG2 THR A 25 -2.710 -17.214 2.718 1.00 0.00 C ATOM 0 H THR A 25 -1.770 -14.243 3.916 1.00 0.00 H new ATOM 0 HA THR A 25 -1.094 -15.450 1.312 1.00 0.00 H new ATOM 0 HB THR A 25 -3.431 -16.096 1.047 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.884 -15.830 2.866 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.597 -17.844 2.780 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.946 -17.720 2.128 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.328 -17.026 3.721 1.00 0.00 H new ATOM 355 N LEU A 26 -2.088 -13.525 0.027 1.00 0.00 N ATOM 356 CA LEU A 26 -2.450 -12.303 -0.682 1.00 0.00 C ATOM 357 C LEU A 26 -3.774 -11.747 -0.169 1.00 0.00 C ATOM 358 O LEU A 26 -3.846 -10.604 0.281 1.00 0.00 O ATOM 359 CB LEU A 26 -2.544 -12.570 -2.185 1.00 0.00 C ATOM 360 CG LEU A 26 -1.217 -12.621 -2.943 1.00 0.00 C ATOM 361 CD1 LEU A 26 -1.322 -13.550 -4.142 1.00 0.00 C ATOM 362 CD2 LEU A 26 -0.799 -11.225 -3.382 1.00 0.00 C ATOM 0 H LEU A 26 -1.703 -14.259 -0.568 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.671 -11.563 -0.499 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.061 -13.518 -2.333 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.166 -11.795 -2.633 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.453 -13.013 -2.272 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.368 -13.573 -4.669 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.574 -14.555 -3.803 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.100 -13.189 -4.815 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.147 -11.281 -3.920 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.564 -10.805 -4.036 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.681 -10.588 -2.505 1.00 0.00 H new ATOM 374 N ALA A 27 -4.819 -12.565 -0.237 1.00 0.00 N ATOM 375 CA ALA A 27 -6.140 -12.157 0.225 1.00 0.00 C ATOM 376 C ALA A 27 -6.075 -11.582 1.635 1.00 0.00 C ATOM 377 O ALA A 27 -6.761 -10.610 1.952 1.00 0.00 O ATOM 378 CB ALA A 27 -7.103 -13.335 0.177 1.00 0.00 C ATOM 0 H ALA A 27 -4.776 -13.514 -0.608 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.505 -11.375 -0.441 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.086 -13.016 0.525 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.181 -13.700 -0.847 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.733 -14.134 0.819 1.00 0.00 H new ATOM 384 N GLY A 28 -5.246 -12.188 2.479 1.00 0.00 N ATOM 385 CA GLY A 28 -5.107 -11.722 3.847 1.00 0.00 C ATOM 386 C GLY A 28 -4.739 -10.253 3.924 1.00 0.00 C ATOM 387 O GLY A 28 -5.435 -9.464 4.565 1.00 0.00 O ATOM 0 H GLY A 28 -4.668 -12.994 2.240 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.043 -11.888 4.381 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.343 -12.312 4.353 1.00 0.00 H new ATOM 391 N LEU A 29 -3.642 -9.885 3.272 1.00 0.00 N ATOM 392 CA LEU A 29 -3.181 -8.501 3.271 1.00 0.00 C ATOM 393 C LEU A 29 -4.185 -7.593 2.568 1.00 0.00 C ATOM 394 O LEU A 29 -4.517 -6.517 3.063 1.00 0.00 O ATOM 395 CB LEU A 29 -1.817 -8.398 2.586 1.00 0.00 C ATOM 396 CG LEU A 29 -0.772 -9.430 3.013 1.00 0.00 C ATOM 397 CD1 LEU A 29 0.350 -9.507 1.990 1.00 0.00 C ATOM 398 CD2 LEU A 29 -0.219 -9.092 4.389 1.00 0.00 C ATOM 0 H LEU A 29 -3.055 -10.525 2.737 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.087 -8.175 4.307 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.966 -8.485 1.510 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.413 -7.403 2.773 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.254 -10.406 3.068 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.084 -10.246 2.310 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.059 -9.798 1.022 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.830 -8.532 1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.523 -9.837 4.676 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.247 -8.107 4.362 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.031 -9.089 5.117 1.00 0.00 H new ATOM 410 N ALA A 30 -4.667 -8.036 1.411 1.00 0.00 N ATOM 411 CA ALA A 30 -5.637 -7.266 0.642 1.00 0.00 C ATOM 412 C ALA A 30 -6.763 -6.754 1.535 1.00 0.00 C ATOM 413 O ALA A 30 -6.954 -5.545 1.678 1.00 0.00 O ATOM 414 CB ALA A 30 -6.202 -8.109 -0.491 1.00 0.00 C ATOM 0 H ALA A 30 -4.401 -8.924 0.986 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.124 -6.403 0.217 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.925 -7.521 -1.056 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.393 -8.421 -1.151 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -6.694 -8.990 -0.079 1.00 0.00 H new ATOM 420 N LEU A 31 -7.506 -7.679 2.131 1.00 0.00 N ATOM 421 CA LEU A 31 -8.614 -7.321 3.010 1.00 0.00 C ATOM 422 C LEU A 31 -8.105 -6.661 4.288 1.00 0.00 C ATOM 423 O LEU A 31 -8.654 -5.657 4.742 1.00 0.00 O ATOM 424 CB LEU A 31 -9.437 -8.562 3.357 1.00 0.00 C ATOM 425 CG LEU A 31 -9.858 -9.440 2.177 1.00 0.00 C ATOM 426 CD1 LEU A 31 -10.002 -10.889 2.615 1.00 0.00 C ATOM 427 CD2 LEU A 31 -11.157 -8.932 1.571 1.00 0.00 C ATOM 0 H LEU A 31 -7.362 -8.683 2.022 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.247 -6.608 2.482 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.860 -9.173 4.051 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.335 -8.242 3.885 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.081 -9.388 1.415 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.302 -11.499 1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.048 -11.249 3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.759 -10.960 3.396 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.441 -9.569 0.733 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -11.943 -8.953 2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.019 -7.910 1.219 1.00 0.00 H new ATOM 439 N LYS A 32 -7.051 -7.231 4.862 1.00 0.00 N ATOM 440 CA LYS A 32 -6.464 -6.697 6.085 1.00 0.00 C ATOM 441 C LYS A 32 -6.398 -5.174 6.038 1.00 0.00 C ATOM 442 O LYS A 32 -6.632 -4.502 7.043 1.00 0.00 O ATOM 443 CB LYS A 32 -5.061 -7.272 6.296 1.00 0.00 C ATOM 444 CG LYS A 32 -4.341 -6.693 7.500 1.00 0.00 C ATOM 445 CD LYS A 32 -2.900 -7.169 7.571 1.00 0.00 C ATOM 446 CE LYS A 32 -2.171 -6.569 8.763 1.00 0.00 C ATOM 447 NZ LYS A 32 -2.491 -7.288 10.028 1.00 0.00 N ATOM 0 H LYS A 32 -6.586 -8.063 4.500 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.100 -6.990 6.920 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.134 -8.353 6.413 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.464 -7.088 5.403 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.363 -5.604 7.449 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.865 -6.981 8.411 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.878 -8.257 7.640 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.381 -6.898 6.652 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.096 -6.605 8.587 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.443 -5.518 8.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.975 -6.849 10.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.513 -7.232 10.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.208 -8.285 9.942 1.00 0.00 H new ATOM 461 N TYR A 33 -6.081 -4.636 4.866 1.00 0.00 N ATOM 462 CA TYR A 33 -5.984 -3.192 4.688 1.00 0.00 C ATOM 463 C TYR A 33 -7.243 -2.639 4.027 1.00 0.00 C ATOM 464 O TYR A 33 -7.692 -1.539 4.344 1.00 0.00 O ATOM 465 CB TYR A 33 -4.757 -2.842 3.846 1.00 0.00 C ATOM 466 CG TYR A 33 -3.447 -3.019 4.582 1.00 0.00 C ATOM 467 CD1 TYR A 33 -2.918 -1.992 5.354 1.00 0.00 C ATOM 468 CD2 TYR A 33 -2.739 -4.211 4.503 1.00 0.00 C ATOM 469 CE1 TYR A 33 -1.722 -2.149 6.028 1.00 0.00 C ATOM 470 CE2 TYR A 33 -1.543 -4.377 5.174 1.00 0.00 C ATOM 471 CZ TYR A 33 -1.039 -3.343 5.935 1.00 0.00 C ATOM 472 OH TYR A 33 0.153 -3.504 6.604 1.00 0.00 O ATOM 0 H TYR A 33 -5.887 -5.178 4.024 1.00 0.00 H new ATOM 0 HA TYR A 33 -5.882 -2.736 5.673 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -4.750 -3.467 2.953 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.839 -1.808 3.511 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.451 -1.055 5.429 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.130 -5.022 3.907 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.325 -1.341 6.624 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.006 -5.311 5.103 1.00 0.00 H new ATOM 0 HH TYR A 33 0.504 -4.403 6.434 1.00 0.00 H new ATOM 482 N GLY A 34 -7.809 -3.413 3.105 1.00 0.00 N ATOM 483 CA GLY A 34 -9.010 -2.985 2.413 1.00 0.00 C ATOM 484 C GLY A 34 -8.896 -3.130 0.909 1.00 0.00 C ATOM 485 O GLY A 34 -9.904 -3.179 0.204 1.00 0.00 O ATOM 0 H GLY A 34 -7.457 -4.329 2.826 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.858 -3.570 2.768 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.216 -1.943 2.660 1.00 0.00 H new ATOM 489 N VAL A 35 -7.664 -3.197 0.414 1.00 0.00 N ATOM 490 CA VAL A 35 -7.420 -3.336 -1.017 1.00 0.00 C ATOM 491 C VAL A 35 -7.537 -4.792 -1.455 1.00 0.00 C ATOM 492 O VAL A 35 -7.624 -5.697 -0.625 1.00 0.00 O ATOM 493 CB VAL A 35 -6.028 -2.805 -1.404 1.00 0.00 C ATOM 494 CG1 VAL A 35 -5.806 -1.415 -0.826 1.00 0.00 C ATOM 495 CG2 VAL A 35 -4.943 -3.764 -0.937 1.00 0.00 C ATOM 0 H VAL A 35 -6.819 -3.157 0.983 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.180 -2.744 -1.527 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.976 -2.733 -2.490 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.817 -1.056 -1.110 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.564 -0.734 -1.214 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.878 -1.457 0.261 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.966 -3.373 -1.219 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.993 -3.870 0.147 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.092 -4.738 -1.404 1.00 0.00 H new ATOM 505 N THR A 36 -7.537 -5.011 -2.766 1.00 0.00 N ATOM 506 CA THR A 36 -7.643 -6.357 -3.316 1.00 0.00 C ATOM 507 C THR A 36 -6.269 -6.923 -3.653 1.00 0.00 C ATOM 508 O THR A 36 -5.302 -6.178 -3.810 1.00 0.00 O ATOM 509 CB THR A 36 -8.520 -6.379 -4.582 1.00 0.00 C ATOM 510 OG1 THR A 36 -8.557 -7.701 -5.130 1.00 0.00 O ATOM 511 CG2 THR A 36 -7.988 -5.408 -5.625 1.00 0.00 C ATOM 0 H THR A 36 -7.465 -4.273 -3.467 1.00 0.00 H new ATOM 0 HA THR A 36 -8.109 -6.976 -2.549 1.00 0.00 H new ATOM 0 HB THR A 36 -9.529 -6.073 -4.304 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.118 -7.706 -5.934 1.00 0.00 H new ATOM 0 HG21 THR A 36 -8.623 -5.441 -6.510 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.988 -4.398 -5.215 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.971 -5.689 -5.898 1.00 0.00 H new ATOM 519 N MET A 37 -6.189 -8.245 -3.763 1.00 0.00 N ATOM 520 CA MET A 37 -4.932 -8.911 -4.084 1.00 0.00 C ATOM 521 C MET A 37 -4.384 -8.423 -5.421 1.00 0.00 C ATOM 522 O MET A 37 -3.217 -8.048 -5.524 1.00 0.00 O ATOM 523 CB MET A 37 -5.129 -10.428 -4.123 1.00 0.00 C ATOM 524 CG MET A 37 -5.792 -10.987 -2.875 1.00 0.00 C ATOM 525 SD MET A 37 -6.725 -12.495 -3.200 1.00 0.00 S ATOM 526 CE MET A 37 -5.500 -13.468 -4.073 1.00 0.00 C ATOM 0 H MET A 37 -6.980 -8.876 -3.635 1.00 0.00 H new ATOM 0 HA MET A 37 -4.211 -8.666 -3.305 1.00 0.00 H new ATOM 0 HB2 MET A 37 -5.734 -10.685 -4.992 1.00 0.00 H new ATOM 0 HB3 MET A 37 -4.160 -10.909 -4.256 1.00 0.00 H new ATOM 0 HG2 MET A 37 -5.029 -11.191 -2.124 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.460 -10.235 -2.455 1.00 0.00 H new ATOM 0 HE1 MET A 37 -5.805 -13.589 -5.112 1.00 0.00 H new ATOM 0 HE2 MET A 37 -4.537 -12.960 -4.034 1.00 0.00 H new ATOM 0 HE3 MET A 37 -5.412 -14.448 -3.604 1.00 0.00 H new ATOM 536 N GLU A 38 -5.235 -8.431 -6.443 1.00 0.00 N ATOM 537 CA GLU A 38 -4.834 -7.990 -7.773 1.00 0.00 C ATOM 538 C GLU A 38 -4.116 -6.645 -7.707 1.00 0.00 C ATOM 539 O GLU A 38 -3.060 -6.464 -8.312 1.00 0.00 O ATOM 540 CB GLU A 38 -6.055 -7.884 -8.689 1.00 0.00 C ATOM 541 CG GLU A 38 -5.712 -7.508 -10.121 1.00 0.00 C ATOM 542 CD GLU A 38 -6.790 -7.914 -11.106 1.00 0.00 C ATOM 543 OE1 GLU A 38 -7.795 -7.182 -11.222 1.00 0.00 O ATOM 544 OE2 GLU A 38 -6.628 -8.965 -11.761 1.00 0.00 O ATOM 0 H GLU A 38 -6.205 -8.738 -6.375 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.146 -8.730 -8.181 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.582 -8.838 -8.689 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.741 -7.141 -8.282 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.556 -6.431 -10.182 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.772 -7.982 -10.402 1.00 0.00 H new ATOM 551 N GLN A 39 -4.698 -5.706 -6.969 1.00 0.00 N ATOM 552 CA GLN A 39 -4.115 -4.377 -6.825 1.00 0.00 C ATOM 553 C GLN A 39 -2.667 -4.466 -6.355 1.00 0.00 C ATOM 554 O GLN A 39 -1.743 -4.125 -7.094 1.00 0.00 O ATOM 555 CB GLN A 39 -4.933 -3.542 -5.838 1.00 0.00 C ATOM 556 CG GLN A 39 -6.151 -2.881 -6.464 1.00 0.00 C ATOM 557 CD GLN A 39 -6.859 -1.941 -5.509 1.00 0.00 C ATOM 558 OE1 GLN A 39 -6.405 -1.719 -4.386 1.00 0.00 O ATOM 559 NE2 GLN A 39 -7.980 -1.381 -5.951 1.00 0.00 N ATOM 0 H GLN A 39 -5.573 -5.840 -6.461 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.132 -3.893 -7.801 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.258 -4.181 -5.017 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.292 -2.772 -5.408 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.844 -2.328 -7.351 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.848 -3.651 -6.794 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.321 -1.593 -6.889 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.500 -0.739 -5.352 1.00 0.00 H new ATOM 568 N ILE A 40 -2.477 -4.927 -5.124 1.00 0.00 N ATOM 569 CA ILE A 40 -1.141 -5.061 -4.557 1.00 0.00 C ATOM 570 C ILE A 40 -0.182 -5.702 -5.554 1.00 0.00 C ATOM 571 O ILE A 40 0.960 -5.266 -5.704 1.00 0.00 O ATOM 572 CB ILE A 40 -1.159 -5.902 -3.266 1.00 0.00 C ATOM 573 CG1 ILE A 40 -2.029 -5.227 -2.204 1.00 0.00 C ATOM 574 CG2 ILE A 40 0.257 -6.106 -2.747 1.00 0.00 C ATOM 575 CD1 ILE A 40 -2.318 -6.109 -1.010 1.00 0.00 C ATOM 0 H ILE A 40 -3.231 -5.214 -4.500 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.796 -4.054 -4.321 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.587 -6.879 -3.492 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.532 -4.319 -1.863 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.972 -4.923 -2.658 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.228 -6.702 -1.835 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.849 -6.625 -3.501 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.709 -5.138 -2.534 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.939 -5.566 -0.298 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.843 -7.006 -1.339 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.381 -6.392 -0.531 1.00 0.00 H new ATOM 587 N LYS A 41 -0.654 -6.740 -6.237 1.00 0.00 N ATOM 588 CA LYS A 41 0.159 -7.441 -7.224 1.00 0.00 C ATOM 589 C LYS A 41 0.518 -6.520 -8.386 1.00 0.00 C ATOM 590 O LYS A 41 1.672 -6.122 -8.541 1.00 0.00 O ATOM 591 CB LYS A 41 -0.585 -8.672 -7.746 1.00 0.00 C ATOM 592 CG LYS A 41 -0.813 -9.739 -6.689 1.00 0.00 C ATOM 593 CD LYS A 41 -2.020 -10.601 -7.017 1.00 0.00 C ATOM 594 CE LYS A 41 -1.735 -11.540 -8.179 1.00 0.00 C ATOM 595 NZ LYS A 41 -1.182 -12.843 -7.716 1.00 0.00 N ATOM 0 H LYS A 41 -1.596 -7.114 -6.125 1.00 0.00 H new ATOM 0 HA LYS A 41 1.081 -7.760 -6.738 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.549 -8.360 -8.149 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.020 -9.105 -8.571 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.073 -10.368 -6.609 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.956 -9.265 -5.718 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.303 -11.182 -6.139 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.868 -9.962 -7.263 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.654 -11.714 -8.739 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.029 -11.068 -8.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.001 -13.455 -8.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.292 -12.680 -7.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.866 -13.305 -7.084 1.00 0.00 H new ATOM 609 N ARG A 42 -0.479 -6.184 -9.199 1.00 0.00 N ATOM 610 CA ARG A 42 -0.268 -5.310 -10.346 1.00 0.00 C ATOM 611 C ARG A 42 0.577 -4.100 -9.959 1.00 0.00 C ATOM 612 O ARG A 42 1.400 -3.629 -10.743 1.00 0.00 O ATOM 613 CB ARG A 42 -1.610 -4.848 -10.916 1.00 0.00 C ATOM 614 CG ARG A 42 -1.496 -4.175 -12.274 1.00 0.00 C ATOM 615 CD ARG A 42 -2.779 -3.447 -12.644 1.00 0.00 C ATOM 616 NE ARG A 42 -2.622 -2.642 -13.853 1.00 0.00 N ATOM 617 CZ ARG A 42 -3.559 -1.822 -14.316 1.00 0.00 C ATOM 618 NH1 ARG A 42 -4.712 -1.698 -13.675 1.00 0.00 N ATOM 619 NH2 ARG A 42 -3.342 -1.123 -15.424 1.00 0.00 N ATOM 0 H ARG A 42 -1.441 -6.504 -9.084 1.00 0.00 H new ATOM 0 HA ARG A 42 0.267 -5.876 -11.109 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.274 -5.708 -11.001 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.074 -4.155 -10.214 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.666 -3.469 -12.263 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.268 -4.923 -13.034 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.578 -4.173 -12.793 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.083 -2.805 -11.817 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.745 -2.713 -14.370 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.882 -2.233 -12.823 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.429 -1.068 -14.033 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.456 -1.216 -15.920 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -4.062 -0.494 -15.779 1.00 0.00 H new ATOM 633 N ALA A 43 0.366 -3.601 -8.746 1.00 0.00 N ATOM 634 CA ALA A 43 1.108 -2.447 -8.255 1.00 0.00 C ATOM 635 C ALA A 43 2.601 -2.749 -8.171 1.00 0.00 C ATOM 636 O ALA A 43 3.435 -1.877 -8.409 1.00 0.00 O ATOM 637 CB ALA A 43 0.578 -2.018 -6.895 1.00 0.00 C ATOM 0 H ALA A 43 -0.313 -3.978 -8.085 1.00 0.00 H new ATOM 0 HA ALA A 43 0.968 -1.629 -8.962 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.142 -1.155 -6.541 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.476 -1.752 -6.982 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.688 -2.839 -6.186 1.00 0.00 H new ATOM 643 N ASN A 44 2.930 -3.991 -7.831 1.00 0.00 N ATOM 644 CA ASN A 44 4.323 -4.408 -7.715 1.00 0.00 C ATOM 645 C ASN A 44 4.620 -5.579 -8.647 1.00 0.00 C ATOM 646 O ASN A 44 5.563 -6.338 -8.426 1.00 0.00 O ATOM 647 CB ASN A 44 4.641 -4.799 -6.270 1.00 0.00 C ATOM 648 CG ASN A 44 4.191 -3.747 -5.274 1.00 0.00 C ATOM 649 OD1 ASN A 44 4.270 -2.548 -5.542 1.00 0.00 O ATOM 650 ND2 ASN A 44 3.716 -4.193 -4.117 1.00 0.00 N ATOM 0 H ASN A 44 2.252 -4.726 -7.631 1.00 0.00 H new ATOM 0 HA ASN A 44 4.953 -3.567 -8.005 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.155 -5.747 -6.038 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.715 -4.957 -6.167 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.398 -3.533 -3.408 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.669 -5.196 -3.938 1.00 0.00 H new ATOM 657 N ARG A 45 3.808 -5.718 -9.690 1.00 0.00 N ATOM 658 CA ARG A 45 3.983 -6.796 -10.656 1.00 0.00 C ATOM 659 C ARG A 45 4.569 -8.035 -9.987 1.00 0.00 C ATOM 660 O ARG A 45 5.504 -8.650 -10.503 1.00 0.00 O ATOM 661 CB ARG A 45 4.893 -6.342 -11.799 1.00 0.00 C ATOM 662 CG ARG A 45 6.186 -5.696 -11.329 1.00 0.00 C ATOM 663 CD ARG A 45 7.214 -6.740 -10.922 1.00 0.00 C ATOM 664 NE ARG A 45 8.568 -6.195 -10.898 1.00 0.00 N ATOM 665 CZ ARG A 45 9.613 -6.844 -10.396 1.00 0.00 C ATOM 666 NH1 ARG A 45 9.460 -8.055 -9.879 1.00 0.00 N ATOM 667 NH2 ARG A 45 10.815 -6.281 -10.411 1.00 0.00 N ATOM 0 H ARG A 45 3.023 -5.098 -9.888 1.00 0.00 H new ATOM 0 HA ARG A 45 3.003 -7.051 -11.060 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.133 -7.202 -12.424 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.350 -5.634 -12.425 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.594 -5.074 -12.126 1.00 0.00 H new ATOM 0 HG3 ARG A 45 5.980 -5.038 -10.485 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.963 -7.130 -9.936 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.173 -7.579 -11.617 1.00 0.00 H new ATOM 0 HE ARG A 45 8.720 -5.265 -11.288 1.00 0.00 H new ATOM 0 HH11 ARG A 45 8.538 -8.491 -9.866 1.00 0.00 H new ATOM 0 HH12 ARG A 45 10.264 -8.551 -9.494 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.937 -5.349 -10.808 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.617 -6.780 -10.025 1.00 0.00 H new ATOM 681 N LEU A 46 4.015 -8.397 -8.835 1.00 0.00 N ATOM 682 CA LEU A 46 4.483 -9.564 -8.094 1.00 0.00 C ATOM 683 C LEU A 46 4.122 -10.853 -8.824 1.00 0.00 C ATOM 684 O LEU A 46 4.626 -11.927 -8.495 1.00 0.00 O ATOM 685 CB LEU A 46 3.880 -9.574 -6.688 1.00 0.00 C ATOM 686 CG LEU A 46 4.679 -8.840 -5.610 1.00 0.00 C ATOM 687 CD1 LEU A 46 3.867 -8.727 -4.329 1.00 0.00 C ATOM 688 CD2 LEU A 46 5.999 -9.550 -5.347 1.00 0.00 C ATOM 0 H LEU A 46 3.242 -7.900 -8.394 1.00 0.00 H new ATOM 0 HA LEU A 46 5.569 -9.504 -8.017 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.885 -9.133 -6.738 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.754 -10.611 -6.376 1.00 0.00 H new ATOM 0 HG LEU A 46 4.897 -7.834 -5.968 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.451 -8.202 -3.573 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.949 -8.173 -4.528 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.618 -9.724 -3.967 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.554 -9.013 -4.577 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.804 -10.568 -5.010 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.586 -9.578 -6.265 1.00 0.00 H new ATOM 700 N TYR A 47 3.248 -10.739 -9.818 1.00 0.00 N ATOM 701 CA TYR A 47 2.819 -11.896 -10.595 1.00 0.00 C ATOM 702 C TYR A 47 4.020 -12.662 -11.141 1.00 0.00 C ATOM 703 O TYR A 47 4.683 -12.216 -12.078 1.00 0.00 O ATOM 704 CB TYR A 47 1.914 -11.456 -11.747 1.00 0.00 C ATOM 705 CG TYR A 47 2.625 -10.625 -12.791 1.00 0.00 C ATOM 706 CD1 TYR A 47 2.740 -9.247 -12.649 1.00 0.00 C ATOM 707 CD2 TYR A 47 3.179 -11.215 -13.920 1.00 0.00 C ATOM 708 CE1 TYR A 47 3.388 -8.483 -13.601 1.00 0.00 C ATOM 709 CE2 TYR A 47 3.830 -10.459 -14.875 1.00 0.00 C ATOM 710 CZ TYR A 47 3.931 -9.094 -14.712 1.00 0.00 C ATOM 711 OH TYR A 47 4.577 -8.337 -15.662 1.00 0.00 O ATOM 0 H TYR A 47 2.823 -9.857 -10.105 1.00 0.00 H new ATOM 0 HA TYR A 47 2.259 -12.558 -9.934 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.491 -12.340 -12.224 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.080 -10.882 -11.344 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.316 -8.765 -11.780 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.099 -12.284 -14.053 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.469 -7.413 -13.476 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.258 -10.935 -15.745 1.00 0.00 H new ATOM 0 HH TYR A 47 4.902 -8.920 -16.379 1.00 0.00 H new ATOM 721 N THR A 48 4.296 -13.819 -10.547 1.00 0.00 N ATOM 722 CA THR A 48 5.417 -14.648 -10.972 1.00 0.00 C ATOM 723 C THR A 48 5.005 -16.111 -11.091 1.00 0.00 C ATOM 724 O THR A 48 4.000 -16.531 -10.520 1.00 0.00 O ATOM 725 CB THR A 48 6.600 -14.538 -9.991 1.00 0.00 C ATOM 726 OG1 THR A 48 6.179 -14.903 -8.672 1.00 0.00 O ATOM 727 CG2 THR A 48 7.161 -13.124 -9.977 1.00 0.00 C ATOM 0 H THR A 48 3.758 -14.203 -9.770 1.00 0.00 H new ATOM 0 HA THR A 48 5.729 -14.281 -11.950 1.00 0.00 H new ATOM 0 HB THR A 48 7.383 -15.220 -10.323 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.190 -15.879 -8.583 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.995 -13.070 -9.277 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.508 -12.860 -10.976 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.382 -12.427 -9.667 1.00 0.00 H new ATOM 735 N ASN A 49 5.789 -16.882 -11.838 1.00 0.00 N ATOM 736 CA ASN A 49 5.505 -18.299 -12.032 1.00 0.00 C ATOM 737 C ASN A 49 5.314 -19.004 -10.692 1.00 0.00 C ATOM 738 O ASN A 49 4.432 -19.851 -10.545 1.00 0.00 O ATOM 739 CB ASN A 49 6.639 -18.965 -12.814 1.00 0.00 C ATOM 740 CG ASN A 49 6.185 -20.220 -13.535 1.00 0.00 C ATOM 741 OD1 ASN A 49 6.217 -20.290 -14.763 1.00 0.00 O ATOM 742 ND2 ASN A 49 5.758 -21.219 -12.771 1.00 0.00 N ATOM 0 H ASN A 49 6.625 -16.549 -12.318 1.00 0.00 H new ATOM 0 HA ASN A 49 4.580 -18.384 -12.602 1.00 0.00 H new ATOM 0 HB2 ASN A 49 7.041 -18.258 -13.540 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.450 -19.215 -12.130 1.00 0.00 H new ATOM 0 HD21 ASN A 49 5.439 -22.088 -13.199 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.749 -21.117 -11.756 1.00 0.00 H new ATOM 749 N ASP A 50 6.145 -18.649 -9.719 1.00 0.00 N ATOM 750 CA ASP A 50 6.067 -19.246 -8.391 1.00 0.00 C ATOM 751 C ASP A 50 5.417 -18.285 -7.401 1.00 0.00 C ATOM 752 O ASP A 50 5.422 -17.071 -7.604 1.00 0.00 O ATOM 753 CB ASP A 50 7.463 -19.635 -7.901 1.00 0.00 C ATOM 754 CG ASP A 50 8.259 -20.381 -8.954 1.00 0.00 C ATOM 755 OD1 ASP A 50 8.826 -19.719 -9.847 1.00 0.00 O ATOM 756 OD2 ASP A 50 8.314 -21.627 -8.884 1.00 0.00 O ATOM 0 H ASP A 50 6.881 -17.951 -9.825 1.00 0.00 H new ATOM 0 HA ASP A 50 5.451 -20.143 -8.458 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.006 -18.736 -7.608 1.00 0.00 H new ATOM 0 HB3 ASP A 50 7.372 -20.257 -7.010 1.00 0.00 H new ATOM 761 N SER A 51 4.855 -18.837 -6.330 1.00 0.00 N ATOM 762 CA SER A 51 4.196 -18.029 -5.310 1.00 0.00 C ATOM 763 C SER A 51 4.956 -16.728 -5.073 1.00 0.00 C ATOM 764 O SER A 51 6.150 -16.632 -5.360 1.00 0.00 O ATOM 765 CB SER A 51 4.084 -18.814 -4.001 1.00 0.00 C ATOM 766 OG SER A 51 3.365 -20.020 -4.190 1.00 0.00 O ATOM 0 H SER A 51 4.843 -19.840 -6.146 1.00 0.00 H new ATOM 0 HA SER A 51 3.195 -17.785 -5.665 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.081 -19.037 -3.621 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.585 -18.203 -3.249 1.00 0.00 H new ATOM 0 HG SER A 51 3.309 -20.504 -3.340 1.00 0.00 H new ATOM 772 N ILE A 52 4.256 -15.729 -4.547 1.00 0.00 N ATOM 773 CA ILE A 52 4.864 -14.433 -4.270 1.00 0.00 C ATOM 774 C ILE A 52 5.884 -14.535 -3.141 1.00 0.00 C ATOM 775 O ILE A 52 6.784 -13.702 -3.026 1.00 0.00 O ATOM 776 CB ILE A 52 3.803 -13.382 -3.893 1.00 0.00 C ATOM 777 CG1 ILE A 52 2.944 -13.886 -2.731 1.00 0.00 C ATOM 778 CG2 ILE A 52 2.933 -13.053 -5.098 1.00 0.00 C ATOM 779 CD1 ILE A 52 2.372 -12.776 -1.877 1.00 0.00 C ATOM 0 H ILE A 52 3.267 -15.792 -4.304 1.00 0.00 H new ATOM 0 HA ILE A 52 5.367 -14.119 -5.185 1.00 0.00 H new ATOM 0 HB ILE A 52 4.311 -12.471 -3.576 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.126 -14.486 -3.128 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.546 -14.543 -2.103 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.188 -12.309 -4.816 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.556 -12.657 -5.900 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.431 -13.957 -5.442 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.775 -13.206 -1.073 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.185 -12.189 -1.450 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.743 -12.131 -2.491 1.00 0.00 H new ATOM 791 N PHE A 53 5.740 -15.563 -2.312 1.00 0.00 N ATOM 792 CA PHE A 53 6.650 -15.775 -1.192 1.00 0.00 C ATOM 793 C PHE A 53 8.103 -15.630 -1.637 1.00 0.00 C ATOM 794 O PHE A 53 8.995 -15.400 -0.819 1.00 0.00 O ATOM 795 CB PHE A 53 6.428 -17.161 -0.582 1.00 0.00 C ATOM 796 CG PHE A 53 5.292 -17.208 0.400 1.00 0.00 C ATOM 797 CD1 PHE A 53 5.461 -16.751 1.697 1.00 0.00 C ATOM 798 CD2 PHE A 53 4.056 -17.710 0.026 1.00 0.00 C ATOM 799 CE1 PHE A 53 4.417 -16.792 2.603 1.00 0.00 C ATOM 800 CE2 PHE A 53 3.009 -17.753 0.927 1.00 0.00 C ATOM 801 CZ PHE A 53 3.190 -17.295 2.218 1.00 0.00 C ATOM 0 H PHE A 53 5.002 -16.262 -2.394 1.00 0.00 H new ATOM 0 HA PHE A 53 6.441 -15.016 -0.438 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.236 -17.875 -1.383 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.343 -17.480 -0.083 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.419 -16.358 2.004 1.00 0.00 H new ATOM 0 HD2 PHE A 53 3.909 -18.072 -0.981 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.561 -16.431 3.611 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.050 -18.144 0.622 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.374 -17.330 2.924 1.00 0.00 H new ATOM 811 N LEU A 54 8.333 -15.767 -2.938 1.00 0.00 N ATOM 812 CA LEU A 54 9.677 -15.652 -3.493 1.00 0.00 C ATOM 813 C LEU A 54 10.395 -14.429 -2.932 1.00 0.00 C ATOM 814 O LEU A 54 11.617 -14.427 -2.782 1.00 0.00 O ATOM 815 CB LEU A 54 9.614 -15.566 -5.019 1.00 0.00 C ATOM 816 CG LEU A 54 9.116 -16.817 -5.743 1.00 0.00 C ATOM 817 CD1 LEU A 54 8.607 -16.464 -7.132 1.00 0.00 C ATOM 818 CD2 LEU A 54 10.222 -17.860 -5.827 1.00 0.00 C ATOM 0 H LEU A 54 7.607 -15.958 -3.628 1.00 0.00 H new ATOM 0 HA LEU A 54 10.239 -16.542 -3.208 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.966 -14.732 -5.289 1.00 0.00 H new ATOM 0 HB3 LEU A 54 10.611 -15.328 -5.391 1.00 0.00 H new ATOM 0 HG LEU A 54 8.289 -17.238 -5.172 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.257 -17.367 -7.632 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.785 -15.754 -7.048 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.414 -16.018 -7.713 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.850 -18.744 -6.345 1.00 0.00 H new ATOM 0 HD22 LEU A 54 11.070 -17.448 -6.375 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.539 -18.136 -4.821 1.00 0.00 H new ATOM 830 N LYS A 55 9.628 -13.390 -2.622 1.00 0.00 N ATOM 831 CA LYS A 55 10.189 -12.161 -2.074 1.00 0.00 C ATOM 832 C LYS A 55 10.272 -12.231 -0.552 1.00 0.00 C ATOM 833 O LYS A 55 9.779 -13.177 0.063 1.00 0.00 O ATOM 834 CB LYS A 55 9.342 -10.957 -2.494 1.00 0.00 C ATOM 835 CG LYS A 55 9.204 -10.807 -3.999 1.00 0.00 C ATOM 836 CD LYS A 55 9.060 -9.349 -4.403 1.00 0.00 C ATOM 837 CE LYS A 55 10.414 -8.710 -4.674 1.00 0.00 C ATOM 838 NZ LYS A 55 11.217 -8.563 -3.428 1.00 0.00 N ATOM 0 H LYS A 55 8.615 -13.374 -2.741 1.00 0.00 H new ATOM 0 HA LYS A 55 11.198 -12.044 -2.470 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.349 -11.050 -2.054 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.787 -10.050 -2.086 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.077 -11.237 -4.490 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.336 -11.368 -4.343 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.437 -9.277 -5.295 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.549 -8.800 -3.612 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.965 -9.317 -5.392 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.269 -7.731 -5.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.016 -7.921 -3.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.618 -8.172 -2.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.578 -9.494 -3.136 1.00 0.00 H new ATOM 852 N LYS A 56 10.896 -11.224 0.049 1.00 0.00 N ATOM 853 CA LYS A 56 11.041 -11.170 1.499 1.00 0.00 C ATOM 854 C LYS A 56 10.020 -10.217 2.112 1.00 0.00 C ATOM 855 O LYS A 56 9.285 -10.584 3.031 1.00 0.00 O ATOM 856 CB LYS A 56 12.457 -10.728 1.875 1.00 0.00 C ATOM 857 CG LYS A 56 13.481 -11.848 1.811 1.00 0.00 C ATOM 858 CD LYS A 56 14.900 -11.311 1.888 1.00 0.00 C ATOM 859 CE LYS A 56 15.921 -12.380 1.531 1.00 0.00 C ATOM 860 NZ LYS A 56 17.256 -11.793 1.230 1.00 0.00 N ATOM 0 H LYS A 56 11.310 -10.434 -0.446 1.00 0.00 H new ATOM 0 HA LYS A 56 10.863 -12.170 1.895 1.00 0.00 H new ATOM 0 HB2 LYS A 56 12.767 -9.925 1.207 1.00 0.00 H new ATOM 0 HB3 LYS A 56 12.444 -10.316 2.884 1.00 0.00 H new ATOM 0 HG2 LYS A 56 13.310 -12.546 2.631 1.00 0.00 H new ATOM 0 HG3 LYS A 56 13.352 -12.407 0.884 1.00 0.00 H new ATOM 0 HD2 LYS A 56 15.007 -10.464 1.210 1.00 0.00 H new ATOM 0 HD3 LYS A 56 15.096 -10.941 2.894 1.00 0.00 H new ATOM 0 HE2 LYS A 56 16.012 -13.085 2.357 1.00 0.00 H new ATOM 0 HE3 LYS A 56 15.569 -12.944 0.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 17.924 -12.554 0.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 17.174 -11.139 0.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 17.604 -11.276 2.063 1.00 0.00 H new ATOM 874 N THR A 57 9.977 -8.992 1.598 1.00 0.00 N ATOM 875 CA THR A 57 9.046 -7.986 2.095 1.00 0.00 C ATOM 876 C THR A 57 8.244 -7.369 0.955 1.00 0.00 C ATOM 877 O THR A 57 8.783 -7.087 -0.116 1.00 0.00 O ATOM 878 CB THR A 57 9.781 -6.867 2.856 1.00 0.00 C ATOM 879 OG1 THR A 57 11.014 -7.364 3.389 1.00 0.00 O ATOM 880 CG2 THR A 57 8.918 -6.322 3.984 1.00 0.00 C ATOM 0 H THR A 57 10.576 -8.672 0.837 1.00 0.00 H new ATOM 0 HA THR A 57 8.367 -8.494 2.780 1.00 0.00 H new ATOM 0 HB THR A 57 9.989 -6.058 2.156 1.00 0.00 H new ATOM 0 HG1 THR A 57 11.476 -6.646 3.870 1.00 0.00 H new ATOM 0 HG21 THR A 57 9.458 -5.533 4.507 1.00 0.00 H new ATOM 0 HG22 THR A 57 7.994 -5.917 3.572 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.683 -7.125 4.683 1.00 0.00 H new ATOM 888 N LEU A 58 6.954 -7.159 1.192 1.00 0.00 N ATOM 889 CA LEU A 58 6.076 -6.573 0.184 1.00 0.00 C ATOM 890 C LEU A 58 5.565 -5.209 0.635 1.00 0.00 C ATOM 891 O LEU A 58 5.606 -4.879 1.820 1.00 0.00 O ATOM 892 CB LEU A 58 4.896 -7.505 -0.097 1.00 0.00 C ATOM 893 CG LEU A 58 5.219 -8.781 -0.875 1.00 0.00 C ATOM 894 CD1 LEU A 58 3.947 -9.404 -1.430 1.00 0.00 C ATOM 895 CD2 LEU A 58 6.204 -8.486 -1.997 1.00 0.00 C ATOM 0 H LEU A 58 6.492 -7.386 2.073 1.00 0.00 H new ATOM 0 HA LEU A 58 6.652 -6.440 -0.732 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.447 -7.788 0.855 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.142 -6.946 -0.651 1.00 0.00 H new ATOM 0 HG LEU A 58 5.680 -9.494 -0.192 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.196 -10.311 -1.981 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.275 -9.651 -0.609 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.457 -8.696 -2.099 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.423 -9.405 -2.540 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.770 -7.756 -2.680 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.126 -8.085 -1.576 1.00 0.00 H new ATOM 907 N TYR A 59 5.083 -4.420 -0.319 1.00 0.00 N ATOM 908 CA TYR A 59 4.564 -3.090 -0.021 1.00 0.00 C ATOM 909 C TYR A 59 3.042 -3.062 -0.130 1.00 0.00 C ATOM 910 O TYR A 59 2.454 -3.783 -0.936 1.00 0.00 O ATOM 911 CB TYR A 59 5.174 -2.057 -0.970 1.00 0.00 C ATOM 912 CG TYR A 59 6.649 -2.268 -1.228 1.00 0.00 C ATOM 913 CD1 TYR A 59 7.477 -2.799 -0.247 1.00 0.00 C ATOM 914 CD2 TYR A 59 7.213 -1.937 -2.453 1.00 0.00 C ATOM 915 CE1 TYR A 59 8.825 -2.992 -0.478 1.00 0.00 C ATOM 916 CE2 TYR A 59 8.560 -2.129 -2.694 1.00 0.00 C ATOM 917 CZ TYR A 59 9.362 -2.656 -1.703 1.00 0.00 C ATOM 918 OH TYR A 59 10.704 -2.849 -1.938 1.00 0.00 O ATOM 0 H TYR A 59 5.041 -4.678 -1.305 1.00 0.00 H new ATOM 0 HA TYR A 59 4.841 -2.841 1.003 1.00 0.00 H new ATOM 0 HB2 TYR A 59 4.640 -2.088 -1.919 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.026 -1.061 -0.553 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.060 -3.065 0.713 1.00 0.00 H new ATOM 0 HD2 TYR A 59 6.588 -1.523 -3.230 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.455 -3.404 0.296 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.983 -1.868 -3.653 1.00 0.00 H new ATOM 0 HH TYR A 59 10.921 -2.562 -2.850 1.00 0.00 H new ATOM 928 N ILE A 60 2.413 -2.224 0.686 1.00 0.00 N ATOM 929 CA ILE A 60 0.960 -2.100 0.680 1.00 0.00 C ATOM 930 C ILE A 60 0.530 -0.697 0.264 1.00 0.00 C ATOM 931 O ILE A 60 0.855 0.297 0.914 1.00 0.00 O ATOM 932 CB ILE A 60 0.363 -2.419 2.063 1.00 0.00 C ATOM 933 CG1 ILE A 60 0.737 -3.840 2.490 1.00 0.00 C ATOM 934 CG2 ILE A 60 -1.149 -2.248 2.039 1.00 0.00 C ATOM 935 CD1 ILE A 60 0.277 -4.903 1.518 1.00 0.00 C ATOM 0 H ILE A 60 2.886 -1.621 1.359 1.00 0.00 H new ATOM 0 HA ILE A 60 0.584 -2.822 -0.045 1.00 0.00 H new ATOM 0 HB ILE A 60 0.777 -1.721 2.791 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.819 -3.904 2.601 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.304 -4.042 3.469 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.557 -2.477 3.024 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.395 -1.219 1.775 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.580 -2.925 1.301 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.576 -5.885 1.884 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.808 -4.866 1.425 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.731 -4.726 0.543 1.00 0.00 H new ATOM 947 N PRO A 61 -0.221 -0.613 -0.844 1.00 0.00 N ATOM 948 CA PRO A 61 -0.714 0.663 -1.370 1.00 0.00 C ATOM 949 C PRO A 61 -1.786 1.283 -0.479 1.00 0.00 C ATOM 950 O PRO A 61 -2.838 0.685 -0.251 1.00 0.00 O ATOM 951 CB PRO A 61 -1.305 0.281 -2.730 1.00 0.00 C ATOM 952 CG PRO A 61 -1.667 -1.157 -2.595 1.00 0.00 C ATOM 953 CD PRO A 61 -0.646 -1.756 -1.668 1.00 0.00 C ATOM 0 HA PRO A 61 0.076 1.412 -1.428 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.178 0.889 -2.967 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -0.583 0.434 -3.532 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.674 -1.270 -2.192 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.654 -1.655 -3.564 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.074 -2.553 -1.060 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.190 -2.189 -2.217 1.00 0.00 H new ATOM 961 N ILE A 62 -1.511 2.483 0.021 1.00 0.00 N ATOM 962 CA ILE A 62 -2.453 3.183 0.885 1.00 0.00 C ATOM 963 C ILE A 62 -3.389 4.071 0.073 1.00 0.00 C ATOM 964 O ILE A 62 -2.943 4.934 -0.684 1.00 0.00 O ATOM 965 CB ILE A 62 -1.723 4.047 1.931 1.00 0.00 C ATOM 966 CG1 ILE A 62 -0.596 3.247 2.588 1.00 0.00 C ATOM 967 CG2 ILE A 62 -2.703 4.552 2.979 1.00 0.00 C ATOM 968 CD1 ILE A 62 0.317 4.087 3.453 1.00 0.00 C ATOM 0 H ILE A 62 -0.644 2.990 -0.157 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.036 2.419 1.399 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.285 4.909 1.427 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.031 2.454 3.196 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.004 2.764 1.811 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.172 5.161 3.711 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.473 5.154 2.497 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.167 3.704 3.482 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.092 3.454 3.886 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.781 4.864 2.845 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.263 4.549 4.252 1.00 0.00 H new